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Information card for entry 7052547
Preview
Coordinates | 7052547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H46 Br2 Cl6 Er2 N4 O8 |
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Calculated formula | C36 H46 Br2 Cl6 Er2 N4 O8 |
SMILES | c1(c2[OH][Er]3([O](C)c2cc(c1)Br)(Cl)([OH]CC)([OH]CC)(Cl)[Cl][Er]1([O](C)c2cc(cc(c2[OH]1)c1[nH]c2ccccc2n1)Br)([OH]CC)([OH]CC)(Cl)(Cl)[Cl]3)c1[nH]c2ccccc2n1 |
Title of publication | Influence of metal‒ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding |
Authors of publication | Yang, Xiaoping; Jones, Richard A.; Oye, Michael M.; Wiester, Michael; Lai, Rachel J. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 2 |
Pages of publication | 310 |
a | 10.201 ± 0.002 Å |
b | 11.683 ± 0.003 Å |
c | 11.701 ± 0.002 Å |
α | 64.8 ± 0.03° |
β | 64.79 ± 0.04° |
γ | 86.63 ± 0.03° |
Cell volume | 1128.7 ± 0.7 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.1006 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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